Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.1707    0.3969    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9894   -0.4812   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3048    0.1896    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390    1.3824    0.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757   -0.4902    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    0.1221    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304    0.2237    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701    1.4815    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658    0.1235   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -0.8826   -1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -1.3632    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287   -1.5173   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    1.1529    0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687   -0.3380    0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers